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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > organosulfonate oxoanion > 7-oxotaurolithocholate
... > chemical entity > molecular entity > ion > organic ion > organic anion > organosulfonate oxoanion > 7-oxotaurolithocholate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > organosulfonate oxoanion > 7-oxotaurolithocholate
... > chemical entity > molecular entity > ion > anion > organic anion > cholanic acid conjugate anion > 7-oxotaurolithocholate
... > chemical entity > molecular entity > ion > organic ion > organic anion > cholanic acid conjugate anion > 7-oxotaurolithocholate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > cholanic acid conjugate anion > 7-oxotaurolithocholate

Preferred term

7-oxotaurolithocholate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • -1

formula

  • C26H42NO6S

inchi

  • InChI=1S/C26H43NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-21,24,28H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/p-1/t16-,17+,18-,19-,20+,21+,24+,25+,26-/m1/s1

inchikey

  • QNRIYEYAHVEGQJ-SWQVIYSDSA-M

is_conjugate_base_of

mass

  • 496.682

monoisotopicmass

  • 496.27383

smiles

  • C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C(C[C@@]2(C[C@@H](C1)O)[H])=O)[H])(CC[C@@]4([C@@H](CCC(NCCS([O-])(=O)=O)=O)C)[H])[H])C)[H])C

subset

  • 3_STAR

synonym EXACT

  • 2-[(3alpha-hydroxy-7,24-dioxo-5beta-cholan-24-yl)amino]ethane-1-sulfonate
  • 7-oxotaurolithocholate

synonym RELATED

  • 2-{[(3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl]amino}ethane-1-sulfonate
  • 7-ketotaurolithocholate
  • N-(3alpha-hydroxy-7-oxo-5beta-cholan-24-oyl)taurine(1-)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:137724

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